N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine

C16H23F3N2O — CID 134137361

IUPACN-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-15(7-10-21)22-12-13-2-4-14(5-3-13)16(17,18)19/h2-5,15,20H,6-12H2,1H3
InChIKeyMTWABGJHHGHDEQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.91
Rot. Bonds6

About N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine

N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine (PubChem CID 134137361) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
PubChem CID134137361
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-15(7-10-21)22-12-13-2-4-14(5-3-13)16(17,18)19/h2-5,15,20H,6-12H2,1H3
InChIKeyMTWABGJHHGHDEQ-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine (CID 134137361) is N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine is CNCCN1CCC(OCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The InChIKey is MTWABGJHHGHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-15(7-10-21)22-12-13-2-4-14(5-3-13)16(17,18)19/h2-5,15,20H,6-12H2,1H3.
What are the key properties of N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine has a molecular weight of 316.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134137361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).